Abstract.
Stereodynamics in ionization of toluene and o-, p-chlorotoluenes by collision with He*(23S) metastable atoms were investigated by two-dimensional collision-energy/electron-energy-resolved Penning ionization electron spectroscopy. Anisotropic interactions around the molecule were studied by the collision energy dependence of partial ionization cross-sections (CEDPICS) as well as model potential calculations, and shielding effect by the methyl group was observed in CEDPICS for ionization from Cl lone-pair orbitals of o- chlorotoluene. Attractive interaction with He*(23S) around the π orbital region was found to be larger for toluene rather than o-, p- chlorotoluenes. Exterior electron density (EED) calculation of partial ionization cross-sections in Penning ionization and negative CEDPICS for ionization band observed in ca. 4 eV in electron energy indicated that π-2π+1 shake-up state was observed in Penning ionization electron spectroscopy of toluene.
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References
F.M. Penning, Naturwissenschaften 15, 818 (1927)
A. Niehaus, Adv. Chem. Phys. 45, 399 (1981)
P.E. Siska, Rev. Mod. Phys. 65, 337 (1993)
V. Cermák, J. Chem. Phys. 44, 3781 (1966)
A.J. Yencha, Electron Spectroscopy: Theory, Technique, and Application, edited by C.R. Brundle, A.D. Baker, (Academic, New York, 1984), Vol. 5
E. Illenberger, A. Niehaus, Z. Phys. B 20, 33 (1975)
J.P. Riola, J.S. Howard, R.D. Rundel, R.F. Stebbings, J. Phys. B 7, 376 (1974)
W. Lindinger, A.L. Schmeltekopf, F.C. Fehsenfeld, J. Chem. Phys. 61, 2890 (1974)
M.R. Woodard, R.C. Sharp, M. Seely, E.E. Mushlitz Jr, J. Chem. Phys. 69, 2978 (1978)
T.P. Parr, D.M. Parr, R.M. Martin, J. Chem. Phys. 76, 316 (1982)
L. Appolloni, B. Brunetti, J. Hermanussen, F. Vecchiocattivi, G.G. Volpi, J. Chem. Phys. 87, 3804 (1987)
K. Mitsuke, T. Takami, K. Ohno, J. Chem. Phys. 91, 1618 (1989)
K. Ohno, T. Takami, K. Mitsuke, T. Ishida, J. Chem. Phys. 94, 2675 (1991)
D.C. Dunlavy, D.W. Martin, P.E. Siska, J. Chem. Phys. 93, 5347 (1990)
T. Takami, K. Ohno, J. Chem. Phys. 96, 6523 (1992)
K. Ohno, H. Yamakado, T. Yamata, T. Ogawa, J. Chem. Phys. 105, 7536 (1995)
H. Hotop, A. Niehaus, Z. Phys. 228, 68 (1969)
K. Ohno, H. Mutoh, Y. Harada, J. Am. Chem. Soc. 105, 4555 (1983)
K. Ohno, K. Imai, S. Matsumoto, Y. Harada, J. Chem. Phys. 81, 4447 (1984)
Y. Yamakita, M. Yamauchi, K. Ohno, Chem. Phys. Lett. 332, 189 (2000)
M. Yamazaki, S. Maeda, N. Kishimoto, K. Ohno, J. Chem. Phys. 122, 044303 (2005)
N. Kishimoto, K. Ohshimo, K. Ohno, J. Electron Spectrosc. Relat. Phenom. 104, 145 (1999)
K. Imura, N. Kishimoto, K. Ohno, J. Phys. Chem. A 105, 6378 (2001)
K. Imura, N. Kishimoto, K. Ohno, J. Phys. Chem. A 105, 4189 (2001)
S. Fujisawa, I. Oonishi, S. Masuda, K. Ohno, Y. Harada, J. Phys. Chem. 95, 5742 (1991)
T. Takami, K. Mitsuke, K. Ohno, J. Chem. Phys. 95, 918 (1991)
K. Ohno, Bull. Chem. Soc. Jpn 77, 887 (2004)
J.L. Gardner, J.A.R. Samson, J. Electron Spectrosc. Rel. Phen. 8, 469 (1976)
K. Kimura, S. Katsumata, Y. Achiba, T. Yamazaki, S. Iwata, Handbook of He I Photoelectron Spectra of Fundamental Organic Molecules (Japan Scientific Press, Tokyo, 1981)
N. Kishimoto, J. Aizawa, H. Yamakado, K. Ohno, J. Phys. Chem. A 101, 5038 (1997)
A.D. Becke, J. Chem. Phys. 98, 5648 (1993); C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)
L. Paling, The Nature of the Chemical Bond (Cornell University, Ithaca, NY, 1960)
L.S. Cederbaum, W. Domcke, Adv. Chem. Phys. 36, 205 (1977); W. von Niessen, J. Schirmer, L.S. Cederbaum, Comp. Phys. Rep. 1, 57 (1984); J.V. Ortiz, J. Chem. Phys. 89, 6348 (1988); V.G. Zakrzewski, W. von Niessen, J. Comp. Chem. 14, 13 (1993)
E.W. Rothe, R.H. Neynaber, S.M. Trujillo, J. Chem. Phys. 42, 3310 (1965)
H. Hotop, Radiat. Res. 59, 379 (1974)
H. Harberland, Y.T. Lee, P.E. Siska, Adv. Chem. Phys. 45, 487 (1981)
H. Hotop, T.E. Roth, M.-W. Ruf, A.J. Yencha, Theor. Chem. Acc. 100, 36 (1998)
S.F. Boys, F. Bernardi, Mol. Phys. 19, 553 (1970)
A.E. Reed, R.B. Weinstock, F. Weinhold, J. Chem. Phys. 83, 735 (1985)
M.J. Frisch et al., Gaussian 98, Revision A.9 (Gaussian Inc., Pittsburgh, PA, 1998)
N.C. Handy, M.T. Marron, H.J. Silverstone, Phys. Rev. 180, 45 (1969)
M.M. Morrell, R.G. Parr, M. Levy, J. Chem. Phys. 62, 549 (1975)
K. Imura, N. Kishimoto, K. Ohno, J. Phys. Chem. A 105, 10781 (2001)
N. Kishimoto, R. Yokoi, H. Yamakado, K. Ohno, J. Phys. Chem. A 101, 3284 (1997)
N. Kishimoto, Y. Osada, K. Ohno, J. Phys. Chem. A 104, 1393 (2000)
N. Kishimoto, Y. Osada, K. Ohno, J. Electron Spectrosc. Rel. Phen. 114-116, 183 (2001)
S. Masuda, M. Aoyama, K. Ohno, Y. Harada, Phys. Rev. Lett. 65, 3257(1990)
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Kishimoto, N., Matsumoto, M., Matsumura, E. et al. Collision-energy-resolved Penning ionization electron spectroscopy of toluene and chlorotoluenes. Eur. Phys. J. D 38, 75–84 (2006). https://doi.org/10.1140/epjd/e2005-00269-3
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DOI: https://doi.org/10.1140/epjd/e2005-00269-3